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Home > Nitro Compounds > 207913-57-3
207913-57-3 | 1,3-Benzenediol, 5-[2-(4-nitrophenyl)diazenyl]-
CAS No: 207913-57-3 Catalog No: AG002JCK MDL No:
Product Description
Catalog Number:
AG002JCK
Chemical Name:
1,3-Benzenediol, 5-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
207913-57-3
Molecular Formula:
C12H9N3O4
Molecular Weight:
259.2176
IUPAC Name:
5-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
InChI:
InChI=1S/C12H9N3O4/c16-11-5-9(6-12(17)7-11)14-13-8-1-3-10(4-2-8)15(18)19/h1-7,16-17H
InChI Key:
QNZZWZHNARKYBE-UHFFFAOYSA-N
SMILES:
Oc1cc(N=Nc2ccc(cc2)[N+](=O)[O-])cc(c1)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.221g/mol
Monoisotopic Mass:
259.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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